SCHEMBL4639476

SCHEMBL4639476

CC(C)(O)c1noc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GRM2 Q14416 1/20 0.35
IDH1 O75874 1/20 0.34
TACR1 P25103 1/20 0.34
CYP19A1 P11511 2/20 0.34
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4637810 0.92 IDH1 (0.42) GPBAR1TSHRALDH1A1GRM2IDH1
SCHEMBL5632833 0.92 GPBAR1 (0.36) GPBAR1TSHRALDH1A1GRM2IDH1
SCHEMBL4638948 0.92 ALDH1A1 (0.35) GPBAR1TSHRALDH1A1GRM2IDH1
SCHEMBL4638055 0.88 ALDH1A1 (0.38) GPBAR1TSHRALDH1A1GRM2IDH1
SCHEMBL4639379 0.87 ALDH1A1 (0.38) GPBAR1TSHRALDH1A1GRM2IDH1
SCHEMBL4709658 0.87 ALDH1A1 (0.38) GPBAR1TSHRALDH1A1GRM2IDH1
SCHEMBL4638005 0.87 GPBAR1 (0.40) GPBAR1TSHRALDH1A1GRM2IDH1
SCHEMBL4639386 0.86 ALDH1A1 (0.40) TSHRALDH1A1GRM2TACR1CYP19A1
SCHEMBL4637968 0.85 GPBAR1 (0.37) GPBAR1TACR1MAPTGAANPSR1
SCHEMBL4637972 0.82 ALDH1A1 (0.44) TSHRALDH1A1GRM2TACR1CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 GPBAR1 101/4885TSHR 337/4885ALDH1A1 1988/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.